1-[bis(4-fluorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[bis(4-fluorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[bis(4-fluorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-[bis(4-fluorophenyl)methyl]-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C24H24F2N3O4S+ MolecularWeight: 488.526866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H23F2N3O4S/c1-34(32,33)21-10-11-22(23(16-21)29(30)31)27-12-14-28(15-13-27)24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-11,16,24H,12-15H2,1H3/p+1